methyl 1-(2-methyl-5-methylsulfanyl-phenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-(2-methyl-5-methylsulfanyl-phenyl)carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-(2-methyl-5-methylsulfanyl-benzoyl)piperidine-4-carboxylate CAS Name: 1-[[2-methyl-5-(methylthio)phenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-methyl-5-methylsulfanylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-[2-methyl-5-(methylthio)benzoyl]isonipecotic acid methyl ester Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC)C(=O)N2CCC(CC2)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)SC)C(=O)N2CCC(CC2)C(=O)OC

InChI

InChI=1S/C16H21NO3S/c1-11-4-5-13(21-3)10-14(11)15(18)17-8-6-12(7-9-17)16(19)20-2/h4-5,10,12H,6-9H2,1-3H3